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Geometry for CH3OO (methylperoxy radical) 2A" CS

1910171554
InChI=1S/CH3O2/c1-3-2/h1H3 INChIKey=WTFNSXYULBQCQV-UHFFFAOYSA-N

MP2/6-311G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.9856 -0.4807 0.0000   -1.0788 0.1965 0.0000
O2 0.0000 0.5621 0.0000   0.1519 -0.5412 0.0000
O3 -1.1999 0.0674 0.0000   1.1735 0.2593 0.0000
H4 1.9485 0.0276 0.0000   -1.8686 -0.5530 0.0000
H5 0.8687 -1.0898 0.8960   -1.1308 0.8146 0.8960
H6 0.8687 -1.0898 -0.8960   -1.1308 0.8146 -0.8960
Atom - Atom Distances (Å)
  C1 O2 O3 H4 H5 H6
C1 1.4348 2.2532 1.0889 1.0898 1.0898
O2 1.4348 1.2979 2.0205 2.0703 2.0703
O3 2.2532 1.2979 3.1487 2.5340 2.5340
H4 1.0889 2.0205 3.1487 1.7937 1.7937
H5 1.0898 2.0703 2.5340 1.7937 1.7921
H6 1.0898 2.0703 2.5340 1.7937 1.7921
Maximum atom distance is 3.1487Å between atoms O3 and H4.
picture of methylperoxy radical
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 O2 O3 110.984
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O2 C1 H4 105.559 O2 C1 H5 109.423
O2 C1 H6 109.423 H4 C1 H5 110.842
H4 C1 H6 110.842 H5 C1 H6 110.618

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.